5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide

C13H13N5O — CID 115330802

IUPAC5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1N)c1cccc(C#N)c1
InChIInChI=1S/C13H13N5O/c1-17(10-5-3-4-9(6-10)7-14)13(19)11-8-16-18(2)12(11)15/h3-6,8H,15H2,1-2H3
InChIKeyZOUMFKQFJAJUQF-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.15
Rot. Bonds2

About 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide

5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 115330802) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID115330802
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1N)c1cccc(C#N)c1
InChIInChI=1S/C13H13N5O/c1-17(10-5-3-4-9(6-10)7-14)13(19)11-8-16-18(2)12(11)15/h3-6,8H,15H2,1-2H3
InChIKeyZOUMFKQFJAJUQF-UHFFFAOYSA-N
XLogP1.15
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide (CID 115330802) is 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1N)c1cccc(C#N)c1.
What is the InChIKey of 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is ZOUMFKQFJAJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-17(10-5-3-4-9(6-10)7-14)13(19)11-8-16-18(2)12(11)15/h3-6,8H,15H2,1-2H3.
What are the key properties of 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide?
5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 115330802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).